12-hydroxylauroyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM150192 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C33H54N7O18P3S charge -4 mass 961.24808 reference metacycM:CPD-17619 InChIKey ZCRRHZUCLLDPCW-GMHMEAMDSA-J InChI InChI=1S/C33H58N7O18P3S/c1-33(2,28(45)31(46)36-14-13-23(42)35-15-17-62-24(43)12-10-8-6-4-3-5-7-9-11-16-41)19-55-61(52,53)58-60(50,51)54-18-22-27(57-59(47,48)49)26(44)32(56-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,41,44-45H,3-19H2,1-2H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t22-,26-,27-,28+,32-/m1/s1 SMILES CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCO

Parent-child relations graph

Deprecated MNXref IDs graph